Synthesis,molecular docking studies,and antimicrobial evaluation of new structurally diverse ureas |
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| Affiliation: | 1. Department of Medicinal Chemistry, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, 81746-73461, Iran;2. Isfahan Pharmaceutical Sciences Research Center, School of Pharmacy and Pharmaceutical Science, Isfahan University of Medical Sciences, Isfahan, Iran;3. Department of Pharmacology and Toxicology, School of Pharmacy and Pharmaceutical Sciences, Isfahan University of Medical Sciences, Isfahan, Iran;1. Centre for Chemical Sciences and Technology, Institute of Science and Technology, Jawaharlal Nehru Technological University Hyderabad, Hyderabad, Telangana 500085, India;2. Discovery Chemistry Solutions, Aragen Life Sciences Pvt. Ltd (formerly called as GVK Biosciences Private Limited), Plot No. 284 Part A, Bommasandra Jigani Link Road, Jigani, Bengaluru, Karnataka 562106, India;3. Department of Chemistry, Veer Surendra Sai University of Technology, Burla, 768018, Odisha, India |
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| Abstract: | A series of new urea derivatives (3a-p) have been synthesized from readily available isocyanates and amines in good to high yields. All synthesized compounds were fully characterized using 1H NMR, 13C NMR, IR, and mass spectrometry. Additionally, the structure of the compound (3n) was confirmed by single-crystal X-ray diffraction. Furthermore, all compounds were evaluated for antimicrobial activity against five bacteria and two fungi. Last but not the least, molecular docking studies with Candida albicans dihydropteroate synthetase were performed and the results are presented herein. |
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| Keywords: | Urea derivatives Antimicrobial Molecular docking Synthesis and characterization Single-crystal X-ray diffraction |
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